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Search term: KQALAVIEDFWKJE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-O-Acetyl-1,4-anhydro-5-O-benzyl-3-O-(3,4-di-O-acetyl-2,6-di-O-benzyl-alpha-D-glucopyranosyl)-D-ribitol | C38H44O12

2-O-Acetyl-1,4-anhydro-5-O-benzyl-3-O-(3,4-di-O-acetyl-2,6-di-O-benzyl-α-D-glucopyranosyl)-D-ribitol

  • Molecular FormulaC38H44O12
  • Average mass692.749 Da
  • Monoisotopic mass692.283264 Da
  • ChemSpider ID8922538

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-O-Acetyl-1,4-anhydro-5-O-benzyl-3-O-(3,4-di-O-acetyl-2,6-di-O-benzyl-α-D-glucopyranosyl)-D-ribitol [ACD/IUPAC Name]
2-O-Acetyl-1,4-anhydro-5-O-benzyl-3-O-(3,4-di-O-acetyl-2,6-di-O-benzyl-α-D-glucopyranosyl)-D-ribitol [German] [ACD/IUPAC Name]
2-O-Acétyl-1,4-anhydro-5-O-benzyl-3-O-(3,4-di-O-acétyl-2,6-di-O-benzyl-α-D-glucopyranosyl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1,4-anhydro-3-O-[3,4-di-O-acetyl-2,6-bis-O-(phenylmethyl)-α-D-glucopyranosyl]-5-O-(phenylmethyl)-, acetate [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 302.5±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 180.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27781.59
ACD/KOC (pH 5.5): 52774.78
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27781.59
ACD/KOC (pH 7.4): 52774.78
Polar Surface Area: 134 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 544.3±5.0 cm3

Click to predict properties on the Chemicalize site


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